N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide

C24H42N2O2 — CID 88814183

IUPACN-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CC)N(CCO)Cc1ccccc1
InChIInChI=1S/C24H42N2O2/c1-3-5-6-7-8-9-10-11-15-18-24(28)25-23(4-2)26(19-20-27)21-22-16-13-12-14-17-22/h12-14,16-17,23,27H,3-11,15,18-21H2,1-2H3,(H,25,28)
InChIKeyKHFPOHNXVMBWHZ-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.25
Rot. Bonds17

About N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide

N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide (PubChem CID 88814183) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide.

Molecular Properties

Compound NameN-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide
PubChem CID88814183
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC NameN-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CC)N(CCO)Cc1ccccc1
InChIInChI=1S/C24H42N2O2/c1-3-5-6-7-8-9-10-11-15-18-24(28)25-23(4-2)26(19-20-27)21-22-16-13-12-14-17-22/h12-14,16-17,23,27H,3-11,15,18-21H2,1-2H3,(H,25,28)
InChIKeyKHFPOHNXVMBWHZ-UHFFFAOYSA-N
XLogP5.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[bis(2-hydroxyethyl)amino]-2-hydroxyethyl]tetradecanamide
CID 170943068
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide?
The IUPAC name of N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide (CID 88814183) is N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide.
What is the SMILES notation for N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide?
The canonical SMILES for N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide is CCCCCCCCCCCC(=O)NC(CC)N(CCO)Cc1ccccc1.
What is the InChIKey of N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide?
The InChIKey is KHFPOHNXVMBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-3-5-6-7-8-9-10-11-15-18-24(28)25-23(4-2)26(19-20-27)21-22-16-13-12-14-17-22/h12-14,16-17,23,27H,3-11,15,18-21H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide?
N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide has a molecular weight of 390.61 g/mol, XLogP of 5.25, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(2-hydroxyethyl)amino]propyl]dodecanamide is sourced from PubChem (CID 88814183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).